Vitas-M small molecule compound
N~3~-(2-chloro-7H-purin-6-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Catalog ID
STL242974
SMILES O=C(Nc1nnc(s1)C1CC1)CCNc1nc(Cl)nc2c1[nH]cn2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C13H13ClN8OS MW 364.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClN8OS/c14-12-19-9(8-10(20-12)17-5-16-8)15-4-3-7(23)18-13-22-21-11(24-13)6-1-2-6/h5-6H,1-4H2,(H,18,22,23)(H2,15,16,17,19,20)InChIKey
UMMKMZRPVFMQQW-UHFFFAOYSA-NSynonyms
1351688-52-21351688522
3((2chloro7Hpurin6yl)amino)N(5cyclopropyl134thiadiazol2yl)propanamide
3((2chloro9Hpurin6yl)amino)N(5cyclopropyl134thiadiazol2yl)propanamide
C1CC1C2=NN=C(S2)NC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl
InChI=1SC13H13ClN8OSc1412199(810(2012)175168)15437(23)1813222111(2413)6126h56H14H2(H182223)(H21516171920)
MFCD24859474
N~3~(2chloro7Hpurin6yl)N(5cyclopropyl134thiadiazol2yl)betaalaninamide
N3(2CHLORO7HPURIN6YL)N(5CYCLOPROPYL134THIADIAZOL2YL)BETAALANINAMIDE
O=C(Nc1nnc(s1)C1CC1)CCNc1nc(Cl)nc2c1(nH)cn2
O=C(Nc1nnc(s1)C1CC1)CCNc1nc(Cl)nc2c1nc(nH)2
ZINC000072400843
ZINC72400843
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